2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C19H13F2N3O2 — CID 66495077

IUPAC2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3cccc(F)c3)[nH]c2cc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2/c1-11-18-16(10-17(25)23(11)14-6-2-4-12(20)8-14)22-24(19(18)26)15-7-3-5-13(21)9-15/h2-10,22H,1H3
InChIKeyKGRXBKFRHXLDIP-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.06
Rot. Bonds2

About 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495077) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495077
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3cccc(F)c3)[nH]c2cc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2/c1-11-18-16(10-17(25)23(11)14-6-2-4-12(20)8-14)22-24(19(18)26)15-7-3-5-13(21)9-15/h2-10,22H,1H3
InChIKeyKGRXBKFRHXLDIP-UHFFFAOYSA-N
XLogP3.06
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494746
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494836
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
2-(3-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
CID 105492392
2-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582267

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495077) is 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3cccc(F)c3)[nH]c2cc(=O)n1-c1cccc(F)c1.
What is the InChIKey of 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is KGRXBKFRHXLDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c1-11-18-16(10-17(25)23(11)14-6-2-4-12(20)8-14)22-24(19(18)26)15-7-3-5-13(21)9-15/h2-10,22H,1H3.
What are the key properties of 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 353.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).